| SpectraBase Compound ID | K9pi2hpzvwY |
|---|---|
| InChI | InChI=1S/C15H14O3S/c1-18-12-8-6-11(7-9-12)10-19-14-5-3-2-4-13(14)15(16)17/h2-9H,10H2,1H3,(H,16,17) |
| InChIKey | XNWQNANDQXNBIQ-UHFFFAOYSA-N |
| Mol Weight | 274.33 g/mol |
| Molecular Formula | C15H14O3S |
| Exact Mass | 274.066365 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BuMsFQ29beJ |
|---|---|
| Name | 2-(4-Methoxybenzylthio)benzoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 274.066365482 u |
| Formula | C15H14O3S |
| InChI | InChI=1S/C15H14O3S/c1-18-12-8-6-11(7-9-12)10-19-14-5-3-2-4-13(14)15(16)17/h2-9H,10H2,1H3,(H,16,17) |
| InChIKey | XNWQNANDQXNBIQ-UHFFFAOYSA-N |
| SMILES | C=1(C(=O)O)C(SCC=2C=CC(=CC2)OC)=CC=CC1 |